1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol

C15H22O2 — CID 103452282

IUPAC1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(C(O)C2(O)CCC(C)CC2)cc1
InChIInChI=1S/C15H22O2/c1-11-3-5-13(6-4-11)14(16)15(17)9-7-12(2)8-10-15/h3-6,12,14,16-17H,7-10H2,1-2H3
InChIKeyLMUOOQWFIHADPG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.97
Rot. Bonds2

About 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol

1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 103452282) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
PubChem CID103452282
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(C(O)C2(O)CCC(C)CC2)cc1
InChIInChI=1S/C15H22O2/c1-11-3-5-13(6-4-11)14(16)15(17)9-7-12(2)8-10-15/h3-6,12,14,16-17H,7-10H2,1-2H3
InChIKeyLMUOOQWFIHADPG-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452318
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
CID 103452414
1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452503
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452363
1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452342
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106312443
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 106762198
1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452335

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol (CID 103452282) is 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol is Cc1ccc(C(O)C2(O)CCC(C)CC2)cc1.
What is the InChIKey of 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is LMUOOQWFIHADPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-3-5-13(6-4-11)14(16)15(17)9-7-12(2)8-10-15/h3-6,12,14,16-17H,7-10H2,1-2H3.
What are the key properties of 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).